4-fluoro-2-(pentyliminomethyl)phenol

C12H16FNO — CID 144549323

IUPAC4-fluoro-2-(pentyliminomethyl)phenol
SMILESCCCCC/N=C/c1cc(F)ccc1O
InChIInChI=1S/C12H16FNO/c1-2-3-4-7-14-9-10-8-11(13)5-6-12(10)15/h5-6,8-9,15H,2-4,7H2,1H3/b14-9+
InChIKeyMXHOHKGPWCPICP-NTEUORMPSA-N
MW209.26 g/mol
LogP3.14
Rot. Bonds5

About 4-fluoro-2-(pentyliminomethyl)phenol

4-fluoro-2-(pentyliminomethyl)phenol (PubChem CID 144549323) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-fluoro-2-(pentyliminomethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(pentyliminomethyl)phenol
PubChem CID144549323
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-fluoro-2-(pentyliminomethyl)phenol
SMILESCCCCC/N=C/c1cc(F)ccc1O
InChIInChI=1S/C12H16FNO/c1-2-3-4-7-14-9-10-8-11(13)5-6-12(10)15/h5-6,8-9,15H,2-4,7H2,1H3/b14-9+
InChIKeyMXHOHKGPWCPICP-NTEUORMPSA-N
XLogP3.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-hydroxy-5-icosylphenyl)methylideneamino]ethyliminomethyl]-4-icosylphenol
CID 136835691
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
2-(heptyliminomethyl)-4-nitrophenol
CID 4512182
4-nitro-2-(octadecyliminomethyl)phenol
CID 4097275
hexyl 3-[4-[(5-hexoxycarbonyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]-4-hydroxybenzoate
CID 136777660
butyl 3-[4-[(5-butoxycarbonyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]-4-hydroxybenzoate
CID 136778125
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
2-(octyliminomethyl)-4-thiophen-2-ylphenol
CID 136714944
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
ethyl 4-[[4-hydroxy-3-(octyliminomethyl)phenyl]diazenyl]benzoate
CID 136745238

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(pentyliminomethyl)phenol?
The IUPAC name of 4-fluoro-2-(pentyliminomethyl)phenol (CID 144549323) is 4-fluoro-2-(pentyliminomethyl)phenol.
What is the SMILES notation for 4-fluoro-2-(pentyliminomethyl)phenol?
The canonical SMILES for 4-fluoro-2-(pentyliminomethyl)phenol is CCCCC/N=C/c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-(pentyliminomethyl)phenol?
The InChIKey is MXHOHKGPWCPICP-NTEUORMPSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-3-4-7-14-9-10-8-11(13)5-6-12(10)15/h5-6,8-9,15H,2-4,7H2,1H3/b14-9+.
What are the key properties of 4-fluoro-2-(pentyliminomethyl)phenol?
4-fluoro-2-(pentyliminomethyl)phenol has a molecular weight of 209.26 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(pentyliminomethyl)phenol is sourced from PubChem (CID 144549323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).